[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-nitrobenzoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-nitrobenzoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C19H16N4O4 MolecularWeight: 364.35474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H16N4O4/c1-12-10-13(2)21-19(20-12)22-15-4-3-5-17(11-15)27-18(24)14-6-8-16(9-7-14)23(25)26/h3-11H,1-2H3,(H,20,21,22)